1 / 21

Hydrogen Absorbing Materials

Hydrogen Absorbing Materials. YOSHIDA Lab. M1 Ryusuke Tominaga. The purpose of research.

tanika
Télécharger la présentation

Hydrogen Absorbing Materials

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. Hydrogen Absorbing Materials YOSHIDA Lab. M1 Ryusuke Tominaga

  2. The purpose of research • The purpose of my research is through creating high-quality Hydrogen Absorbing Materials , to encourage the prevalence of fuel-cell electric vehicle , and thereby to contribute to the energy and environment concern .

  3. fuel-cell electric vehicle 「ＰＵＹＯ」 （->) environment concern The efficiency of fuel-cell electric vehicle is 2 times more efficient than that of normal vehicle (->energy concern) No emissions of carbon dioxide 出典：http://www.nikkei.co.jp/news/main/im20071009AS1D0904609102007.html

  4. The structure of Fuel cell

  5. What is the Hydrogen Absorbing Materials ? The Hydrogen Absorbing Materials are the materials that can absorb and emit hydrogen. The discover ：the Philips Eindhoven institution （Netherlands)

  6. The condition that must be satisfied to be a practical Hydrogen Absorbing system • Can the system contain enough fuel for about 480km drive ranges at one time refilling ? • Can it release hydrogen at rates fast enough to provide the power and acceleration that drier expect on a freeway ? • Can it fill the fuel fast enough at reasonable price ?

  7. Specific material ZnO (zincblende) Formation energyEf=[E(ZnO:Hx)-{E(ZnO)+0.5*x*E(H2)}]/x BC: Bond-centered AB: Antibonding T: Tetrahedral H: Hexagonal Doping H into T0

  8. Condition for calculation • Machikaneyama2002 • http://sham.phys.sci.osaka-u.ac.jp/~kkr/ • Korringa-Kohn-Rostoker (KKR) Green’s function method • Coherent potential approximation (CPA) • Local density approximation (LDA) • No lattice relaxationedelt=0.001 Ry, • ZnO • zincblende structure • Experimental lattice constants are used.

  9. ZnO

  10. 同時ドーピング法 ドープするドナーとアクセプター濃度にアンバランつけながら、同時にドープする方法。 a）溶解度増大効果 b) キャリア活性率増大効果 c）易動度増大効果

  11. Specific material ZnO (zincblende) Formation energyEf=[(E((Zn,X)O:Hx)-{E((Zn,X)O)+0.5*x*E(H2)}]/x Doping trantion metal into Zn-site Doping H into T0 BC: Bond-centered AB: Antibonding T: Tetrahedral H: Hexagonal

  12. Condition for calculation • Machikaneyama2002 • http://sham.phys.sci.osaka-u.ac.jp/~kkr/ • Korringa-Kohn-Rostoker (KKR) Green’s function method • Coherent potential approximation (CPA) • Local density approximation (LDA) • No lattice relaxationedelt=0.001 Ry, • ZnO • zincblende structure • Experimental lattice constants are used.

  13. Ｗｈａｔ　ｉｓ　ｔｈｅ　ｃａｕｓｅ　？ • LDA error ? • Can ZnO be Hydrogen Absorbing Materials ?

  14. LDA+SIC • ‘Pseudopotential-like self-interaction correction scheme’ by Filippetti and Spaldin. • We implement the scheme with KKR-CPA code (MACHIKANEYAMA2002). Orbital independent potential • Filippetti and Spaldin, PRB 67, 125109 (2003). • Akai, PRL 81, 3002 (1998).

  15. ZnVO LDA SIC Main peak at EB = 1.8 eV Ishida et al.,Pysica B 351, 204(2004).

  16. Condition for calculation • Machikaneyama2002 • http://sham.phys.sci.osaka-u.ac.jp/~kkr/ • Korringa-Kohn-Rostoker (KKR) Green’s function method • Coherent potential approximation (CPA) • （Self-interaction corrected LDA (SIC-LDA)） • No lattice relaxationedelt=0.001 Ry, • ZnO • zincblende structure • Experimental lattice constants are used.

  17. Other material • MgH2

  18. Sumarry • The co-doping method is efficient to ZnO. But the effect is limited . • Using SIC-LDA (Self-interaction corrected LDA) • Other material ex) MgH2

More Related